(2S)-2-(6-chloranyl-1H-indol-3-yl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(6-chloranyl-1H-indol-3-yl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(6-chloro-1H-indol-3-yl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(6-chloro-1H-indol-3-yl)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(6-chloro-1H-indol-3-yl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(6-chloro-1H-indol-3-yl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetate Formula: C22H24ClN3O5S MolecularWeight: 477.96106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CNC4=C3C=CC(=C4)Cl)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=CC(=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C22H24ClN3O5S/c1-2-31-16-4-6-17(7-5-16)32(29,30)26-11-9-25(10-12-26)21(22(27)28)19-14-24-20-13-15(23)3-8-18(19)20/h3-8,13-14,21,24H,2,9-12H2,1H3,(H,27,28)/t21-/m0/s1